N-(3-ethynylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide

Systemtic Name: N-(3-ethynylphenyl)-4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanamide Openeye Name: N-(3-ethynylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide CAS Name: N-(3-ethynylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide IUPAC Name: N-(3-ethynylphenyl)-4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanamide Traditional Name: N-(3-ethynylphenyl)-4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butyramide Formula: C19H15N3O5 MolecularWeight: 365.3395

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Descriptors Computed from Structure

Canonical SMILES:

C#CC1=CC(=CC=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C#CC1=CC(=CC=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H15N3O5/c1-2-13-5-3-6-14(11-13)20-18(23)7-4-10-21-16-9-8-15(22(25)26)12-17(16)27-19(21)24/h1,3,5-6,8-9,11-12H,4,7,10H2,(H,20,23)